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ScientificNameLabel
2-phenoxyethyl benzoate
PHCD compound ID : 531
Chemical Names :
2-phenoxyethyl benzoate
Molecular Formula : C15H14O3
Molecular Weight : 242.094294
More Details :
Names & Synonyms: 2-phenoxyethyl benzoate , benzoic acid 2-phenoxyethyl ester
Smiles: O=C(c1ccccc1)OCCOc1ccccc1
InChi : InChI=1S/C15H14O3/c16-15(13-7-3-1-4-8-13)18-12-11-17-14-9-5-2-6-10-14/h1-10H,11-12H2
InChi Key : InChIKey=WMAXFAQWCDUBLS-UHFFFAOYSA-N
PubChem ID : 347077
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.041757
Hydrogen bond donor count : 0 Electric dipole moment : 2.696
XLogP : 2.36 VDW volume : 229.39878
Molecular weight : 242.094294 HOMO-LUMO gap : 8.425000
Herb list :
Refrences & Litretures:
  
32.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2014'      Volume:'13'      Page:'1173'      DOI:''      Title:'Synthesis and Biological Evaluation of Novel Mono Acid Esters Derived from the Constituents of Urtica pilulifera'
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